K788-8509 Screening compound: (2E)-N-[(4-chlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

K788-8509 Screening compound: (2E)-N-[(4-chlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
K788-8509 Screening compound: (2E)-N-[(4-chlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-8509
(2E)-N-[(4-chlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K788-8509

Molecular Formula

C27H25ClN2O4S (C27 H25 ClN2 O4 S)

Compound Name

(2E)-N-[(4-chlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

(2E)-N-[(4-chlorophenyl)methyl]-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-3-oxo-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

CCOc(ccc(/C=C1/Sc(ccc(C(NCc(cc2)ccc2Cl)=O)c2)c2N(C)C1=O)c1)c1OC

InChI

InChI=1S/C27H25ClN2O4S/c1-4-34-22-11-7-18(13-23(22)33-3)14-25-27(32)30(2)21-15-19(8-12-24(21)35-25)26(31)29-16-17-5-9-20(28)10-6-17/h5-15H,4,16H2,1-3H3,(H,29,31)

InChI Key

SYLMJAHUPOJKPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.898

Distribution Coefficient, logD

4.898

Water Solubility, LogSw

-5.09

Polar Surface Area

54.361

Acid Dissociation Constant (pKa)

12.07

Base Dissociation Constant (pKb)

-5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with K788-8509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8509?
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What is the minimum amount of K788-8509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8509
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K788-8509 available by request